2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide

C20H16BrFN2O3S — CID 26565252

IUPAC2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C20H16BrFN2O3S/c21-15-11-12-19(18(22)13-15)23-20(25)14-24(16-7-3-1-4-8-16)28(26,27)17-9-5-2-6-10-17/h1-13H,14H2,(H,23,25)
InChIKeyDTRLYBKOGSZWEF-UHFFFAOYSA-N
MW463.33 g/mol
LogP4.42
Rot. Bonds6

About 2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide

2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide (PubChem CID 26565252) has the molecular formula C20H16BrFN2O3S and a molecular weight of 463.33 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
PubChem CID26565252
Molecular FormulaC20H16BrFN2O3S
Molecular Weight463.33 g/mol
Exact Mass462.00
IUPAC Name2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C20H16BrFN2O3S/c21-15-11-12-19(18(22)13-15)23-20(25)14-24(16-7-3-1-4-8-16)28(26,27)17-9-5-2-6-10-17/h1-13H,14H2,(H,23,25)
InChIKeyDTRLYBKOGSZWEF-UHFFFAOYSA-N
XLogP4.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.33
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 126258294
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 21371746
N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126320797
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
CID 43891619
N-(4-bromo-2-fluorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126415456
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide
CID 26565833
N-(4-bromo-2-fluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17469619
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 126030529
N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289283
N-(4-bromo-2-fluorophenyl)-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]acetamide
CID 43900067
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide
CID 126032170
N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 126334178

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide (CID 26565252) is 2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1F.
What is the InChIKey of 2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide?
The InChIKey is DTRLYBKOGSZWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN2O3S/c21-15-11-12-19(18(22)13-15)23-20(25)14-24(16-7-3-1-4-8-16)28(26,27)17-9-5-2-6-10-17/h1-13H,14H2,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide?
2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide has a molecular weight of 463.33 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide is sourced from PubChem (CID 26565252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).